Si Abdelkader, H.Faraoun, H. I.Esling, C.2013-04-212013-04-212011-08-150021-8979https://dspace.univ-tlemcen.dz/handle/112/1808JOURNAL OF APPLIED PHYSICS, ISSN : 0021-8979, DOI: 10.1063/1.3624580, Issue : 4, Volume :110, pp. 44901-44906, 15 AOUT 2011.Adhesion and electronic structure of Mo/HfC and Mo/ZrC interfaces with and without Re impurity are investigated using first-principles density functional calculations. For Re free interface, results show that Mo atoms bind preferentially on top of C atoms, forming covalent bonds. The presence of Re alloying at the interface improves the adhesion, but does not affect the nature of interfacial Mo-C bonds.enab initio calculationsadhesionceramicsdensity functional theoryelectronic density of statesFermi levelhafnium compoundsmetal-insulator boundariesmolybdenummolybdenum alloysrhenium alloysArticle